5I3R
 
 | | Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor | | 分子名称: | BMP-2-inducible protein kinase, N-[6-(3-{[(cyclopropylmethyl)sulfonyl]amino}phenyl)-1H-indazol-3-yl]cyclopropanecarboxamide, PHOSPHATE ION | | 著者 | Counago, R.M, Sorrell, F.J, Krojer, T, Savitsky, P, Elkins, J.M, Axtman, A, Drewry, D, Wells, C, Zhang, C, Zuercher, W, Willson, T.M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Arruda, P, Gileadi, O, Structural Genomics Consortium (SGC) | | 登録日 | 2016-02-10 | | 公開日 | 2016-03-09 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor
To Be Published
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7LPS
 | | Crystal structure of DDB1-CRBN-ALV1 complex bound to Helios (IKZF2 ZF2) | | 分子名称: | 3-[3-[[1-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2,5-bis(oxidanylidene)pyrrol-3-yl]amino]phenyl]-~{N}-(3-chloranyl-4-methyl-phenyl)propanamide, DNA damage-binding protein 1, Protein cereblon, ... | | 著者 | Nowak, R.P, Fischer, E.S. | | 登録日 | 2021-02-12 | | 公開日 | 2021-06-02 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.78 Å) | | 主引用文献 | Acute pharmacological degradation of Helios destabilizes regulatory T cells.
Nat.Chem.Biol., 17, 2021
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7LJO
 | | Structure of the Bacteroides fragilis CD-NTase CdnB in complex with ADP | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, CD-NTase, MAGNESIUM ION | | 著者 | Govande, A, Lowey, B, Eaglesham, J.B, Whiteley, A.T, Kranzusch, P.J. | | 登録日 | 2021-01-29 | | 公開日 | 2021-06-02 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | Molecular basis of CD-NTase nucleotide selection in CBASS anti-phage defense.
Cell Rep, 35, 2021
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6K7S
 | | Crystal structure of thymidylate synthase from shrimp | | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, TOMUDEX, Thymidylate synthase | | 著者 | Ma, Q, Zang, K, Liu, C. | | 登録日 | 2019-06-08 | | 公開日 | 2020-06-10 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | | 主引用文献 | Structural analysis of a shrimp thymidylate synthase reveals species-specific interactions with dUMP and raltitrexed.
J Oceanol Limnol, 38, 2020
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6D3Q
 | | Crystal structure of Escherichia coli enolase complexed with a natural inhibitor SF2312. | | 分子名称: | Enolase, GLYCEROL, MAGNESIUM ION, ... | | 著者 | Erlandsen, H, Krucinska, J, Hazeen, A, Wright, D. | | 登録日 | 2018-04-16 | | 公開日 | 2019-11-27 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | | 主引用文献 | Functional and structural basis of E. coli enolase inhibition by SF2312: a mimic of the carbanion intermediate.
Sci Rep, 9, 2019
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5UTQ
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7LJN
 | | Structure of the Bradyrhizobium diazoefficiens CD-NTase CdnG in complex with GTP | | 分子名称: | CD-NTase, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION | | 著者 | Govande, A, Lowey, B, Eaglesham, J.B, Whiteley, A.T, Kranzusch, P.J. | | 登録日 | 2021-01-29 | | 公開日 | 2021-06-02 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Molecular basis of CD-NTase nucleotide selection in CBASS anti-phage defense.
Cell Rep, 35, 2021
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5UU2
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6D1P
 | | Apo structure of Bacteroides uniformis beta-glucuronidase 3 | | 分子名称: | GLYCEROL, Glycosyl hydrolases family 2, sugar binding domain protein, ... | | 著者 | Walton, W.G, Pellock, S.J, Redinbo, M.R. | | 登録日 | 2018-04-12 | | 公開日 | 2018-10-17 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Three structurally and functionally distinct beta-glucuronidases from the human gut microbeBacteroides uniformis.
J. Biol. Chem., 293, 2018
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7LC0
 | | Structure of D-Glucosaminate-6-phosphate Ammonia-lyase | | 分子名称: | ACETIC ACID, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Phillips, R.S. | | 登録日 | 2021-01-09 | | 公開日 | 2021-06-09 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structure and Mechanism of d-Glucosaminate-6-phosphate Ammonia-lyase: A Novel Octameric Assembly for a Pyridoxal 5'-Phosphate-Dependent Enzyme, and Unprecedented Stereochemical Inversion in the Elimination Reaction of a d-Amino Acid.
Biochemistry, 60, 2021
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6K6V
 | | Crystal structure of barley exohydrolaseI W434A mutant in complex with methyl 6-thio-beta-gentiobioside | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, BETA-D-GLUCAN GLUCOHYDROLASE ISOENZYME EXO1, ... | | 著者 | Luang, S, Streltsov, V.A, Hrmova, M. | | 登録日 | 2019-06-05 | | 公開日 | 2020-08-19 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases.
Nat Commun, 13, 2022
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5UX1
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6CSL
 | | Pneumococcal PhtD protein 269-339 fragment with bound Zn(II) | | 分子名称: | Histidine triad protein D, ZINC ION | | 著者 | Luo, Z, Pederick, V.G, Paton, J.C, McDevitt, C.A, Kobe, B. | | 登録日 | 2018-03-20 | | 公開日 | 2018-06-13 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.921 Å) | | 主引用文献 | Structural characterisation of the HT3 motif of the polyhistidine triad protein D from Streptococcus pneumoniae.
FEBS Lett., 592, 2018
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7MLT
 | | Crystal structure of ricin A chain in complex with 5-(2-ethylphenyl)thiophene-2-carboxylic acid | | 分子名称: | 1,2-ETHANEDIOL, 5-(2-ethylphenyl)thiophene-2-carboxylic acid, CHLORIDE ION, ... | | 著者 | Harijan, R.K, Li, X.P, Cao, B, Augeri, D, Bonanno, J.B, Almo, S.C, Tumer, N.E, Schramm, V.L. | | 登録日 | 2021-04-29 | | 公開日 | 2022-02-09 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Synthesis and Structural Characterization of Ricin Inhibitors Targeting Ribosome Binding Using Fragment-Based Methods and Structure-Based Design.
J.Med.Chem., 64, 2021
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5UXM
 | | Type II DAH7PS from Pseudomonas aeruginosa with Trp bound | | 分子名称: | CHLORIDE ION, COBALT (II) ION, PHOSPHATE ION, ... | | 著者 | Sterritt, O.W, Jameson, G.B, Parker, E.J. | | 登録日 | 2017-02-23 | | 公開日 | 2018-02-28 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | A Pseudoisostructural Type II DAH7PS Enzyme from Pseudomonas aeruginosa: Alternative Evolutionary Strategies to Control Shikimate Pathway Flux.
Biochemistry, 57, 2018
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6K9S
 | | Structure of the Carbonylruthenium Mesoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan | | 分子名称: | (2S)-2-[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1H-indol-3-yl)propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, CARBON MONOXIDE, ... | | 著者 | Stanfield, J.K, Omura, K, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O. | | 登録日 | 2019-06-17 | | 公開日 | 2020-03-18 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain.
Angew.Chem.Int.Ed.Engl., 59, 2020
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6CT3
 | | Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 27 round 7-2 | | 分子名称: | 5-nitro-2-oxidanyl-benzenecarbonitrile, GLYCEROL, Kemp eliminase, ... | | 著者 | Jackson, C.J, Hong, N.-S, Carr, P.D. | | 登録日 | 2018-03-22 | | 公開日 | 2018-08-01 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | The evolution of multiple active site configurations in a designed enzyme.
Nat Commun, 9, 2018
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5UY6
 | | Crystal Structure of the Human CAMKK2B | | 分子名称: | 2-cyclopentyl-4-(5-phenylfuro[2,3-b]pyridin-3-yl)benzoic acid, Calcium/calmodulin-dependent protein kinase kinase 2 | | 著者 | Counago, R.M, Dewry, D, Bountra, C, Arruda, P, Edwards, A.M, Gileadi, O, Structural Genomics Consortium (SGC) | | 登録日 | 2017-02-23 | | 公開日 | 2017-03-29 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Crystal Structure of the Human CAMKK2B
To Be Published
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5UXD
 | | Crystal structure of macrolide 2'-phosphotransferase MphH from Brachybacterium faecium in complex with azithromycin | | 分子名称: | AZITHROMYCIN, CHLORIDE ION, Macrolide 2'-phosphotransferase MphH, ... | | 著者 | Stogios, P.J, Skarina, T, Wawrzak, Z, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2017-02-22 | | 公開日 | 2017-08-23 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | The evolution of substrate discrimination in macrolide antibiotic resistance enzymes.
Nat Commun, 9, 2018
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6KEL
 | | Crystal structure of Drosophila melanogaster Noppera-bo, glutathione S-transferase epsilon 14 (DmGSTE14), in apo-form | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Glutathione S-transferase E14 | | 著者 | Koiwai, K, Inaba, K, Morohashi, K, Yumoto, F, Senda, T, Niwa, R. | | 登録日 | 2019-07-04 | | 公開日 | 2019-10-02 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | An integrated approach to unravel a crucial structural property required for the function of the insect steroidogenic Halloween protein Noppera-bo.
J.Biol.Chem., 295, 2020
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7M23
 | | Human carbonic anhydrase II in complex with troglitazone | | 分子名称: | (5R)-5-(4-{[(2R)-6-HYDROXY-2,5,7,8-TETRAMETHYL-3,4-DIHYDRO-2H-CHROMEN-2-YL]METHOXY}BENZYL)-1,3-THIAZOLIDINE-2,4-DIONE, Carbonic anhydrase 2, ZINC ION | | 著者 | Mueller, S.L, Peat, T.S. | | 登録日 | 2021-03-16 | | 公開日 | 2022-02-02 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | The Glitazone Class of Drugs as Carbonic Anhydrase Inhibitors-A Spin-Off Discovery from Fragment Screening.
Molecules, 26, 2021
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7M26
 | | Human carbonic anhydrase II in complex with pioglitazone | | 分子名称: | (5R)-5-{4-[2-(5-ethylpyridin-2-yl)ethoxy]benzyl}-1,3-thiazolidine-2,4-dione, Carbonic anhydrase 2, ZINC ION | | 著者 | Mueller, S.L, Peat, T.S. | | 登録日 | 2021-03-16 | | 公開日 | 2022-02-02 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | The Glitazone Class of Drugs as Carbonic Anhydrase Inhibitors-A Spin-Off Discovery from Fragment Screening.
Molecules, 26, 2021
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6CUN
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7M24
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7MEE
 | | CDD-1 beta-lactamase in imidazole/MPD 6 minute avibactam complex | | 分子名称: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase, ... | | 著者 | Smith, C.A, Vakulenko, S.B. | | 登録日 | 2021-04-06 | | 公開日 | 2022-02-16 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | In Crystallo Time-Resolved Interaction of the Clostridioides difficile CDD-1 enzyme with Avibactam Provides New Insights into the Catalytic Mechanism of Class D beta-lactamases.
Acs Infect Dis., 7, 2021
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